SCHEMBL19940602

SCHEMBL19940602

C=C(C)C(=O)OCCCOc1ccc(C2(c3ccc(OCCCOC(=O)C(=C)C)cc3)CCCCCCCCCCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
APEX1 P27695 1/20 0.55
HTT P42858 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
PSMB1 P20618 1/20 0.48
PSMB5 P28074 1/20 0.48
PSMB2 P49721 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ADORA3 P0DMS8 1/20 0.44
TSHR P16473 3/20 0.44
HRH3 Q9Y5N1 3/20 0.40
SLC6A5 Q9Y345 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
GAA P10253 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
HRH2 P25021 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19940074 1.00 POLB (0.55) POLBAPEX1HTTTDP1PSMB1
SCHEMBL10886240 0.85 ADORA3 (0.44) POLBAPEX1HTTTDP1PSMB1
SCHEMBL14173065 0.81 POLB (0.45) POLBAPEX1HTTTDP1PSMB1
SCHEMBL21422397 0.81 CA1 (0.44) POLBAPEX1HTTTDP1MEN1
SCHEMBL26007788 0.80 POLB (0.41) POLBAPEX1HTTTDP1PSMB1
SCHEMBL13588352 0.80 ADORA3 (0.40) POLBAPEX1HTTTDP1PSMB1
SCHEMBL14727679 0.79 HTT (0.50) POLBAPEX1HTTTDP1MEN1
SCHEMBL2703811 0.79 KMT2A (0.49) POLBHTTPSMB1PSMB5PSMB2
SCHEMBL14173280 0.79 HTT (0.68) POLBAPEX1HTTTDP1TSHR
SCHEMBL14173281 0.79 HTT (0.68) POLBAPEX1HTTTDP1TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018043746-A1 PHOTOSENSITIVE RESIN COMPOSITION FOR FORMING ORGANIC ELECTROLUMINESCENT ELEMENT PARTITION WALL, PARTITION WALL, ORGANIC ELECTROLUMINESCENT ELEMENT, IMAGE DISPLAY DEVICE AND LIGHTING 三菱ケミカル株式会社 2018-03-08 WO disclosed